(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol

C13H23N3O — CID 176633384

IUPAC(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
SMILESCC(C)N1CCC([C@@H](O)c2nccn2C)CC1
InChIInChI=1S/C13H23N3O/c1-10(2)16-7-4-11(5-8-16)12(17)13-14-6-9-15(13)3/h6,9-12,17H,4-5,7-8H2,1-3H3/t12-/m1/s1
InChIKeyARGSHFPPBSJXQM-GFCCVEGCSA-N
MW237.35 g/mol
LogP1.57
Rot. Bonds3

About (R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol

(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol (PubChem CID 176633384) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
PubChem CID176633384
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
SMILESCC(C)N1CCC([C@@H](O)c2nccn2C)CC1
InChIInChI=1S/C13H23N3O/c1-10(2)16-7-4-11(5-8-16)12(17)13-14-6-9-15(13)3/h6,9-12,17H,4-5,7-8H2,1-3H3/t12-/m1/s1
InChIKeyARGSHFPPBSJXQM-GFCCVEGCSA-N
XLogP1.57
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
(1-methylimidazol-2-yl)-[1-(4,5,6-trimethylpyrimidin-2-yl)piperidin-4-yl]methanol
CID 162635184
(1-methylimidazol-2-yl)-[1-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 75390782
(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one
CID 124616877
N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide
CID 97092059
1-(4-fluorophenyl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
CID 75434389
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133395761
(1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol
CID 45228146
(1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 121496323
(S)-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97159643
(1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
CID 97092115
(3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65400333

Frequently Asked Questions

What is the IUPAC name of (R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol?
The IUPAC name of (R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol (CID 176633384) is (R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol.
What is the SMILES notation for (R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol?
The canonical SMILES for (R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol is CC(C)N1CCC([C@@H](O)c2nccn2C)CC1.
What is the InChIKey of (R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol?
The InChIKey is ARGSHFPPBSJXQM-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)16-7-4-11(5-8-16)12(17)13-14-6-9-15(13)3/h6,9-12,17H,4-5,7-8H2,1-3H3/t12-/m1/s1.
What are the key properties of (R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol?
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol has a molecular weight of 237.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol is sourced from PubChem (CID 176633384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).